Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ADK | P55263 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19746 | 0.91 | CYP19A1 (0.45) | KMT2AKDM4EHSD17B10MAOBADORA3 | |
| Acetic Acid SCHEMBL11666716 | 0.90 | KMT2A (0.43) | KMT2AKDM4EHSD17B10MAOBADORA3 | |
| Methane SCHEMBL27973705 | 0.89 | CYP19A1 (0.44) | KMT2AKDM4EHSD17B10MAOBADORA3 | |
| SCHEMBL11733122 | 0.89 | CYP19A1 (0.44) | KMT2AKDM4EHSD17B10MAOBADORA3 | |
| Methoxymethane SCHEMBL27610365 | 0.88 | KDM4E (0.42) | KMT2AKDM4EHSD17B10MAOBADORA3 | |
| SCHEMBL2474551 | 0.82 | MAOB (0.49) | KDM4EHSD17B10MAOBADORA3AR | |
| SCHEMBL2283832 | 0.82 | CYP3A4 (0.49) | KMT2AKDM4EHSD17B10MAOBADORA3 | |
| SCHEMBL11049014 | 0.82 | MAOB (0.49) | KMT2AMAOBCYP19A1ALDH1A1LMNA | |
| SCHEMBL10381296 | 0.79 | POLB (0.42) | KMT2AKDM4EMAOBARNR3C1 | |
| SCHEMBL5088610 | 0.78 | CYP19A1 (0.47) | KMT2AHSD17B10MAOBADORA3AR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105806978-A | Method for measuring phenolic compounds in immature bitter oranges or fructus aurantii through SPE-HPLC | 北京中医药大学 | 2016-07-27 | — | — | CN | claimed |
| CN-105806978-A | Method for measuring phenolic compounds in immature bitter oranges or fructus aurantii through SPE-HPLC | 北京中医药大学 | 2016-07-27 | — | — | CN | disclosed |